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23568-85-6 | Benzonitrile, 3-(2,2,2-trifluoroacetyl)-
CAS No: 23568-85-6 Catalog No: AG002NON MDL No:MFCD01319970
Product Description
Catalog Number:
AG002NON
Chemical Name:
Benzonitrile, 3-(2,2,2-trifluoroacetyl)-
CAS Number:
23568-85-6
Molecular Formula:
C9H4F3NO
Molecular Weight:
199.1294
MDL Number:
MFCD01319970
IUPAC Name:
3-(2,2,2-trifluoroacetyl)benzonitrile
InChI:
InChI=1S/C9H4F3NO/c10-9(11,12)8(14)7-3-1-2-6(4-7)5-13/h1-4H
InChI Key:
MWGVWNKZGXDSRJ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(=O)C(F)(F)F
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.132g/mol
Monoisotopic Mass:
199.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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